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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ca(GeIr)2 by Materials Project

Ca(IrGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Ge atoms. All Ca–Ir bond lengths are 3.35 Å. All Ca–Ge bond lengths are 3.24 Å. Ir is bonded in a 4-coordinate geometry to four equivalent Ca and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.47 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ca, four equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.61 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3(GeIr)4 by Materials Project

Ca3(IrGe)4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to four equivalent Ir and four equivalent Ge atoms. All Ca–Ir bond lengths are 3.15 Å. All Ca–Ge bond lengths are 3.14 Å. Ir is bonded in a 7-coordinate geometry to three equivalent Ca and four equivalent Ge atoms. There are one shorter (2.37 Å) and three longer (2.53 Å) Ir–Ge bond lengths. Ge is bonded in a 7-coordinate geometry to three equivalent Ca and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3Ge13Ir4 by Materials Project

Ca3Ir4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to four equivalent Ir and twelve equivalent Ge atoms. All Ca–Ir bond lengths are 3.22 Å. There are eight shorter (3.20 Å) and four longer (3.28 Å) Ca–Ge bond lengths. Ir is bonded in a 9-coordinate geometry to three equivalent Ca and six equivalent Ge atoms. All Ir–Ge bond lengths are 2.51 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Ca, two equivalent Ir, and two Ge atoms. There are one shorter (2.62 Å) and one longer (3.02 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗